4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C25H24ClN3O2S/c1-27-23(21-10-5-15-32-21)22(19-8-2-3-9-20(19)24(27)30)25(31)29-13-11-28(12-14-29)18-7-4-6-17(26)16-18/h2-10,15-16,22-23H,11-14H2,1H3